N-(3-chloro-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine

C18H23ClN4 — CID 112926195

IUPACN-(3-chloro-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCc1cc(Nc2ccc(C)c(Cl)c2)nc(N2CCCC(C)C2)n1
InChIInChI=1S/C18H23ClN4/c1-12-5-4-8-23(11-12)18-20-14(3)9-17(22-18)21-15-7-6-13(2)16(19)10-15/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,20,21,22)
InChIKeyALJFELOVQJJFBX-UHFFFAOYSA-N
MW330.86 g/mol
LogP4.73
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine

N-(3-chloro-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 112926195) has the molecular formula C18H23ClN4 and a molecular weight of 330.86 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID112926195
Molecular FormulaC18H23ClN4
Molecular Weight330.86 g/mol
Exact Mass330.16
IUPAC NameN-(3-chloro-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCc1cc(Nc2ccc(C)c(Cl)c2)nc(N2CCCC(C)C2)n1
InChIInChI=1S/C18H23ClN4/c1-12-5-4-8-23(11-12)18-20-14(3)9-17(22-18)21-15-7-6-13(2)16(19)10-15/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,20,21,22)
InChIKeyALJFELOVQJJFBX-UHFFFAOYSA-N
XLogP4.73
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910263
N-(4-chloro-2-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926194
6-methyl-2-(3-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112926182
N-(3-chloro-4-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112864416
N-(2,3-dimethylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926175
N-(4-chloro-2,5-dimethoxyphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926257
6-methyl-2-(3-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
CID 112926246
N-(5-chloro-2-methoxyphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926199
N-(2-bromophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926236
N-(2-ethylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926176
N-(2-bromo-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926238
N-(3-bromo-4-methylphenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112960744

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine (CID 112926195) is N-(3-chloro-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine is Cc1cc(Nc2ccc(C)c(Cl)c2)nc(N2CCCC(C)C2)n1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is ALJFELOVQJJFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4/c1-12-5-4-8-23(11-12)18-20-14(3)9-17(22-18)21-15-7-6-13(2)16(19)10-15/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,20,21,22).
What are the key properties of N-(3-chloro-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
N-(3-chloro-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 330.86 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112926195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).